Table 7. Stabilization Enthalpies of the HKA Cocrystals.
| ΔEcocrystalstab/ kJ mol–1 | PBE-MBD* | Dmol3 |
|---|---|---|
| 3-HBA | –1.63 | –1.57 |
| Urotropine | –1.13 | –10.26 |
| Imidazole | –4.52 | –6.26 |
| 4-Pyridone | –12.36 | –18.85 |
| DABCO | –3.71 | –2.0 |
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